(1-methyl-3-methylsulfanylpyrazol-5-yl)methanamine

C6H11N3S — CID 83851779

IUPAC(1-methyl-3-methylsulfanylpyrazol-5-yl)methanamine
SMILESCSc1cc(CN)n(C)n1
InChIInChI=1S/C6H11N3S/c1-9-5(4-7)3-6(8-9)10-2/h3H,4,7H2,1-2H3
InChIKeyYIIQMKGDCYJRMF-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.60
Rot. Bonds2

About (1-methyl-3-methylsulfanylpyrazol-5-yl)methanamine

(1-methyl-3-methylsulfanylpyrazol-5-yl)methanamine (PubChem CID 83851779) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is (1-methyl-3-methylsulfanylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-3-methylsulfanylpyrazol-5-yl)methanamine
PubChem CID83851779
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name(1-methyl-3-methylsulfanylpyrazol-5-yl)methanamine
SMILESCSc1cc(CN)n(C)n1
InChIInChI=1S/C6H11N3S/c1-9-5(4-7)3-6(8-9)10-2/h3H,4,7H2,1-2H3
InChIKeyYIIQMKGDCYJRMF-UHFFFAOYSA-N
XLogP0.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-tert-butyl-1-methylpyrazol-5-yl)methanamine
CID 66644048
4-[[5-(aminomethyl)-1-methylpyrazol-3-yl]methyl]phenol
CID 115093107
1-methyl-5-(methylsulfanylmethyl)pyrazol-3-amine
CID 117217176
(1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride
CID 45157159
3-(2,2-dimethylpropylsulfanyl)-5-ethyl-1-methylpyrazole
CID 118885944
[3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine
CID 115092957
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine
CID 104999307
5-(2-aminoethyl)-1-methylpyrazol-3-amine
CID 83864147
3-(aminomethyl)-1-methylpyrazol-5-amine
CID 82502392
(4-methylsulfanyl-6-propan-2-ylpyrimidin-2-yl)methanamine
CID 83915885
[3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine
CID 115092671
3-(1-methyl-5-propylpyrazol-3-yl)propan-1-amine
CID 105439768

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-methylsulfanylpyrazol-5-yl)methanamine?
The IUPAC name of (1-methyl-3-methylsulfanylpyrazol-5-yl)methanamine (CID 83851779) is (1-methyl-3-methylsulfanylpyrazol-5-yl)methanamine.
What is the SMILES notation for (1-methyl-3-methylsulfanylpyrazol-5-yl)methanamine?
The canonical SMILES for (1-methyl-3-methylsulfanylpyrazol-5-yl)methanamine is CSc1cc(CN)n(C)n1.
What is the InChIKey of (1-methyl-3-methylsulfanylpyrazol-5-yl)methanamine?
The InChIKey is YIIQMKGDCYJRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-9-5(4-7)3-6(8-9)10-2/h3H,4,7H2,1-2H3.
What are the key properties of (1-methyl-3-methylsulfanylpyrazol-5-yl)methanamine?
(1-methyl-3-methylsulfanylpyrazol-5-yl)methanamine has a molecular weight of 157.24 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-methylsulfanylpyrazol-5-yl)methanamine is sourced from PubChem (CID 83851779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).